N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine

C16H15F3N2 — CID 102708741

IUPACN-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccncc1-c1cccc(CNC2CC2)c1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)15-6-7-20-10-14(15)12-3-1-2-11(8-12)9-21-13-4-5-13/h1-3,6-8,10,13,21H,4-5,9H2
InChIKeyWTDGPOASDTUHJL-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.02
Rot. Bonds4

About N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine

N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine (PubChem CID 102708741) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine
PubChem CID102708741
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1ccncc1-c1cccc(CNC2CC2)c1
InChIInChI=1S/C16H15F3N2/c17-16(18,19)15-6-7-20-10-14(15)12-3-1-2-11(8-12)9-21-13-4-5-13/h1-3,6-8,10,13,21H,4-5,9H2
InChIKeyWTDGPOASDTUHJL-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[4-(trifluoromethyl)-3-pyridinyl]furan-2-yl]methyl]cyclopropanamine
CID 106888261
N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
CID 114605475
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691
N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
CID 102708685
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine (CID 102708741) is N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine is FC(F)(F)c1ccncc1-c1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine?
The InChIKey is WTDGPOASDTUHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)15-6-7-20-10-14(15)12-3-1-2-11(8-12)9-21-13-4-5-13/h1-3,6-8,10,13,21H,4-5,9H2.
What are the key properties of N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine?
N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine has a molecular weight of 292.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102708741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).